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Potassium Cation → 2-methyl-2-({4-[2-({1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}oxy)ethyl]-1,3-thiazol-2-yl}thio)propionic acid tert-butyl ester

HRID 188267
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HRID 188267 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([S:9][c:10]1[s:11][cH:12][c:13]([CH2:15][CH2:16][O:17][S:18]([CH3:19])(=[O:20])=[O:21])[n:14]1)[CH3:22])=[O:23].[C:40](=[O:41])([O-:42])[O-:43].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[F:24][C:25]([c:26]1[cH:27][c:28](-[n:32]2[n:33][cH:34][c:35]([OH:37])[cH:36]2)[cH:29][cH:30][cH:31]1)([F:38])[F:39].[K+:44].[K+:45].[OH2:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([S:9][c:10]1[s:11][cH:12][c:13]([CH2:15][CH2:16][O:17][c:35]2[cH:34][n:33][n:32](-[c:28]3[cH:27][c:26]([C:25]([F:24])([F:38])[F:39])[cH:31][cH:30][cH:29]3)[cH:36]2)[n:14]1)[CH3:22])=[O:23]
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반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 27830311-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-olHCID 597592982-Methyl-2-[(4-{2-[(methylsulfonyl)oxy]ethyl}-1,3-thiazol-2-yl)thio]propionic acid tert-butyl ester

생성물 1

HCID 59758892
2-methyl-2-({4-[2-({1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}oxy)ethyl]-1,3-thiazol-2-yl}thio)propionic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-dffedd5a183b404d9e37d2d8e757e5bc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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